3-[[4-(2-methylbutan-2-yl)phenoxy]methyl]phenol

C18H22O2 — CID 70563194

IUPAC3-[[4-(2-methylbutan-2-yl)phenoxy]methyl]phenol
SMILESCCC(C)(C)c1ccc(OCc2cccc(O)c2)cc1
InChIInChI=1S/C18H22O2/c1-4-18(2,3)15-8-10-17(11-9-15)20-13-14-6-5-7-16(19)12-14/h5-12,19H,4,13H2,1-3H3
InChIKeyCHIAYQNIGMIUMC-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.66
Rot. Bonds5

About 3-[[4-(2-methylbutan-2-yl)phenoxy]methyl]phenol

3-[[4-(2-methylbutan-2-yl)phenoxy]methyl]phenol (PubChem CID 70563194) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-[[4-(2-methylbutan-2-yl)phenoxy]methyl]phenol.

Molecular Properties

Compound Name3-[[4-(2-methylbutan-2-yl)phenoxy]methyl]phenol
PubChem CID70563194
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name3-[[4-(2-methylbutan-2-yl)phenoxy]methyl]phenol
SMILESCCC(C)(C)c1ccc(OCc2cccc(O)c2)cc1
InChIInChI=1S/C18H22O2/c1-4-18(2,3)15-8-10-17(11-9-15)20-13-14-6-5-7-16(19)12-14/h5-12,19H,4,13H2,1-3H3
InChIKeyCHIAYQNIGMIUMC-UHFFFAOYSA-N
XLogP4.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[[4-(2-methylbutan-2-yl)phenoxy]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-ethylphenoxy)methyl]phenol
CID 70330427
3-methyl-5-[[4-(2-methylbutan-2-yl)phenyl]methoxy]phenol
CID 123417920
3-[(3-methylphenyl)methoxy]phenol
CID 39243397
[4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]phenyl]methylazanium chloride
CID 11016435
4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]benzonitrile
CID 10863286
[4-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]methanamine
CID 22684437
3-bromo-2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]aniline
CID 43349754
1-(2,4-dimethylpent-4-en-2-yl)-4-phenylmethoxybenzene
CID 146167604
1,3-bis(2-methylbutan-2-yl)benzene;phenol
CID 175328016
1-(2-hydroxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanone
CID 71616954
1-(2-methylbutan-2-yl)-4-phenoxybenzene
CID 67473143
2-acetyl-5-[(3-hydroxyphenyl)methoxy]benzoic acid
CID 91863786

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-methylbutan-2-yl)phenoxy]methyl]phenol?
The IUPAC name of 3-[[4-(2-methylbutan-2-yl)phenoxy]methyl]phenol (CID 70563194) is 3-[[4-(2-methylbutan-2-yl)phenoxy]methyl]phenol.
What is the SMILES notation for 3-[[4-(2-methylbutan-2-yl)phenoxy]methyl]phenol?
The canonical SMILES for 3-[[4-(2-methylbutan-2-yl)phenoxy]methyl]phenol is CCC(C)(C)c1ccc(OCc2cccc(O)c2)cc1.
What is the InChIKey of 3-[[4-(2-methylbutan-2-yl)phenoxy]methyl]phenol?
The InChIKey is CHIAYQNIGMIUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-4-18(2,3)15-8-10-17(11-9-15)20-13-14-6-5-7-16(19)12-14/h5-12,19H,4,13H2,1-3H3.
What are the key properties of 3-[[4-(2-methylbutan-2-yl)phenoxy]methyl]phenol?
3-[[4-(2-methylbutan-2-yl)phenoxy]methyl]phenol has a molecular weight of 270.37 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-methylbutan-2-yl)phenoxy]methyl]phenol is sourced from PubChem (CID 70563194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).